ethyl 5-hydroxy-6-methylpyridine-3-carboxylate

C9H11NO3 — CID 15619972

IUPACethyl 5-hydroxy-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)7-4-8(11)6(2)10-5-7/h4-5,11H,3H2,1-2H3
InChIKeyUHOAHFQMCGNFSO-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.27
Rot. Bonds2

About ethyl 5-hydroxy-6-methylpyridine-3-carboxylate

ethyl 5-hydroxy-6-methylpyridine-3-carboxylate (PubChem CID 15619972) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 5-hydroxy-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-6-methylpyridine-3-carboxylate
PubChem CID15619972
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl 5-hydroxy-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1
InChIInChI=1S/C9H11NO3/c1-3-13-9(12)7-4-8(11)6(2)10-5-7/h4-5,11H,3H2,1-2H3
InChIKeyUHOAHFQMCGNFSO-UHFFFAOYSA-N
XLogP1.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethyl 6-chloro-5-formylpyridine-3-carboxylate
CID 150533511
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 5,8-dioxoquinoline-3-carboxylate
CID 11053454
ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
CID 140979555
ethyl 4-amino-3-hydroxybenzoate
CID 12784565

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-6-methylpyridine-3-carboxylate (CID 15619972) is ethyl 5-hydroxy-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(O)c1.
What is the InChIKey of ethyl 5-hydroxy-6-methylpyridine-3-carboxylate?
The InChIKey is UHOAHFQMCGNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-9(12)7-4-8(11)6(2)10-5-7/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-6-methylpyridine-3-carboxylate?
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 15619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).